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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H32O3
Molecular Weight 308.4556
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTANE-3,7,17-TRIOL, (3BETA,5ALPHA,7ALPHA,17BETA)-

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])[C@H](O)C[C@@]4([H])C[C@@H](O)CC[C@]34C

InChI

InChIKey=UFGLFVVFQFFPSV-LKBCLYITSA-N
InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,16+,17+,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H32O3
Molecular Weight 308.4556
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:11 UTC 2023
Edited
by admin
on Sat Dec 16 11:19:11 UTC 2023
Record UNII
7269TBU72V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTANE-3,7,17-TRIOL, (3BETA,5ALPHA,7ALPHA,17BETA)-
Common Name English
5.ALPHA.-ANDROSTANE-3.BETA.,7.ALPHA.,17.BETA.-TRIOL
Systematic Name English
ANDROSTANE-3,7,17-TRIOL, (3.BETA.,5.ALPHA.,7.ALPHA.,17.BETA.)-
Systematic Name English
5.ALPHA.-ANDROSTAN-3.BETA.,7.ALPHA.,17.BETA.-TRIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80940990
Created by admin on Sat Dec 16 11:19:12 UTC 2023 , Edited by admin on Sat Dec 16 11:19:12 UTC 2023
PRIMARY
FDA UNII
7269TBU72V
Created by admin on Sat Dec 16 11:19:12 UTC 2023 , Edited by admin on Sat Dec 16 11:19:12 UTC 2023
PRIMARY
PUBCHEM
161274
Created by admin on Sat Dec 16 11:19:12 UTC 2023 , Edited by admin on Sat Dec 16 11:19:12 UTC 2023
PRIMARY
CAS
19316-62-2
Created by admin on Sat Dec 16 11:19:12 UTC 2023 , Edited by admin on Sat Dec 16 11:19:12 UTC 2023
PRIMARY
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